CID 66648

2-chlorobenzylamine

Structural Information

Molecular Formula
C7H8ClN
SMILES
C1=CC=C(C(=C1)CN)Cl
InChI
InChI=1S/C7H8ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2
InChIKey
KDDNKZCVYQDGKE-UHFFFAOYSA-N
Compound name
(2-chlorophenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

4628
Patents

141.03453 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04181 124.5
[M+Na]+ 164.02375 138.6
[M+NH4]+ 159.06835 134.7
[M+K]+ 179.99769 130.9
[M-H]- 140.02725 128.2
[M+Na-2H]- 162.00920 133.0
[M]+ 141.03398 127.9
[M]- 141.03508 127.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe